Sugi Predict

Sugi Predict / Compounds / SCHEMBL341403

SCHEMBL341403

SCHEMBL341403

O=C(OC(C(=O)O)C(O)C(=O)O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.78
▸ TP53 P04637 1/20 0.78
▸ CYP2D6 P10635 1/20 0.54
▸ RECQL P46063 1/20 0.51
▸ LMNA P02545 2/20 0.48
▸ F2 P00734 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ SLC6A3 Q01959 3/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ SRC P12931 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2331470 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL23266974 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL2596611 1.00 TSHR (0.78) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL10705613 0.98 TSHR (0.75) TSHRTP53CYP2D6RECQLLMNA
Cadaverine Tartrate SCHEMBL16541102 0.92 TSHR (0.85) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL4190179 0.92 TSHR (0.71) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL3709855 0.92 TSHR (0.71) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL670257 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL11886503 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL223030 0.88 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 300 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724809-A Tenapanol Process for the preparation of intermediates 杭州善礼生物医药科技有限公司 2024-10-01 — — CN claimed
CN-114349728-A Preparation method of (3R, 4R) -4-aminotetrahydropyran-3-ol and salt thereof 南京药石科技股份有限公司 2022-04-15 — — CN claimed
CN-113121413-A Preparation method of JAK3 enzyme inhibitor key intermediate 江苏艾立康医药科技有限公司 2021-07-16 — — CN claimed
US-20210061757-A1 PROCESS FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS OLON SPA (IT) 2021-03-04 — — US claimed
EP-3774725-A1 PROCESS FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS OLON S.p.A. (IT) 2021-02-17 — — EP claimed
CN-112262125-A Method for synthesizing optically active beta-amino alcohol 欧伦股份公司 2021-01-22 — — CN claimed
CN-111233682-A Preparation of (S) - (-) - α -methylaminopropiophenone 北京旋光普利生物医药科技开发有限公司 2020-06-05 — — CN claimed
CN-110452158-A The synthetic method of halofuginone hydrobromide and its intermediate with optical activation LAUNCH PHARMA TECH LTD 2019-11-15 — — CN claimed
WO-2019198023-A1 PROCESS FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS OLON S.P.A. (IT) 2019-10-17 — — WO claimed
CN-108378261-A Oyster protein sports drink and preparation method thereof 舟山海研食品科技有限公司 2018-08-10 — — CN claimed
EP-1609781-A1 Optical resolution of (1-benzyl-4-methylpiperidin-3-yl)-methylamine Pfizer Products Incorporated (US) 2005-12-28 — — EP claimed
WO-2005047274-A1 PREPARATION OF ESCITALOPRAM DR. REDDY'S LABORATORIES, INC. (US) 2005-05-26 — — WO claimed
US-20040229923-A1 Chiral salt resolution PFIZER INC. 2004-11-18 — — US claimed
EP-1392694-A1 OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS Pfizer Products Inc. (US) 2004-03-03 — — EP claimed
CN-1442407-A Chemical resolution preparation method of optically pure fesufenadin and its hydrochloride salt SHANGHAI INST ORGANIC CHEM (CN) 2003-09-17 — — CN claimed
US-20030073719-A1 Chiral salt resolution PFIZER INC. 2003-04-17 — — US claimed
WO-2002096909-A1 OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL) -METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO 2,3-PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS PFIZER PRODUCTS INC. (US) 2002-12-05 — — WO claimed
EP-0625523-B1 process of preparing a cis-oxalato(trans-L-1,2-cyclohexanediamine) Pt(II) complex having high optical purity DEBIOPHARM SA (CH) 2001-10-31 — — EP claimed
US-5420319-A Cis-oxalato(trans-1-1,2-cyclohexanediamine) Pt(II) complex having high optical purity and process of preparing same TANAKA KIKINZOKU KOGYO K.K. (JP) 1995-05-30 — — US claimed
EP-0625523-A1 Cis-oxalato(trans-L-1,2-cyclohexanediamine) Pt(II) complex having high optical purity and process of preparing same Tanaka Kikinzoku Kogyo K.K. (JP) 1994-11-23 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229923-A1 Chiral salt resolution REN, SRR, RER1 TSHR 1745/4885TP53 3367/4885CYP2D6 1473/4885
US-20210061757-A1 PROCESS FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS ADH1C, ADH1A, ADH5 TSHR 4403/4885TP53 4670/4885CYP2D6 412/4885
US-20030073719-A1 Chiral salt resolution REN, SRR, RER1 TSHR 1745/4885TP53 3367/4885CYP2D6 1473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.